6-[(4-iodophenoxy)methyl]pyridin-2-amine

C12H11IN2O — CID 79238777

IUPAC6-[(4-iodophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2ccc(I)cc2)n1
InChIInChI=1S/C12H11IN2O/c13-9-4-6-11(7-5-9)16-8-10-2-1-3-12(14)15-10/h1-7H,8H2,(H2,14,15)
InChIKeyFQGWDKHEWNSFEK-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.85
Rot. Bonds3

About 6-[(4-iodophenoxy)methyl]pyridin-2-amine

6-[(4-iodophenoxy)methyl]pyridin-2-amine (PubChem CID 79238777) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 6-[(4-iodophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-iodophenoxy)methyl]pyridin-2-amine
PubChem CID79238777
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name6-[(4-iodophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2ccc(I)cc2)n1
InChIInChI=1S/C12H11IN2O/c13-9-4-6-11(7-5-9)16-8-10-2-1-3-12(14)15-10/h1-7H,8H2,(H2,14,15)
InChIKeyFQGWDKHEWNSFEK-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-iodophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(4-iodophenoxy)methyl]pyridin-2-amine (CID 79238777) is 6-[(4-iodophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-iodophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-iodophenoxy)methyl]pyridin-2-amine is Nc1cccc(COc2ccc(I)cc2)n1.
What is the InChIKey of 6-[(4-iodophenoxy)methyl]pyridin-2-amine?
The InChIKey is FQGWDKHEWNSFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c13-9-4-6-11(7-5-9)16-8-10-2-1-3-12(14)15-10/h1-7H,8H2,(H2,14,15).
What are the key properties of 6-[(4-iodophenoxy)methyl]pyridin-2-amine?
6-[(4-iodophenoxy)methyl]pyridin-2-amine has a molecular weight of 326.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-iodophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79238777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).